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Title: Commensuration Effects in Layered Nanoparticle Solids.

Abstract

We have developed a hierarchical nanoparticle transport simulator (HINTS) and adapted it to study commensuration effects in two classes of nanoparticle (NP) solids: (1) a bilayer NP solid (BNS) with an energy offset and (2) a BNS as part of a field effect transistor (FET). HINTS integrates the ab initio characterization of single NPs with the phonon-assisted tunneling transition model of the NP-NP transitions into a kinetic Monte Carlo based simulation of the charge transport in NP solids. First, we studied a BNS with an interlayer energy offset Delta, possibly caused by a fixed electric field. Our results include the following. First, in the independent energy-offset model, we observed the emergence of commensuration effects when scanning the electron filling factor (FF) across integer values. These commensuration effects were profound as they reduced the mobility by several orders of magnitude. We analyzed these commensuration effects in a five-dimensional parameter space, as a function of the on-site charging energy E-C, energy offset Delta, disorder D, the electron FF, and temperature k(B)T. We demonstrated the complexity of our model by showing that at integer FFs commensuration effects are present in some regions of the parameter space, while they vanish in other regions, thusmore » defining distinct dynamical phases of the model. We determined the phase boundaries between these dynamical phases. Second, using these results as a foundation, we shifted our focus to the experimentally much-studied NP-FETs. NP-FETs are also characterized by an interlayer energy offset Delta, which, in contrast to our first model, is set by the gate voltage V-G and thereby related to the electron FF. We repeated many of our simulations and again demonstrated the emergence of commensuration effects and distinct dynamical phases in these NP-FETs. Notably, the commensuration effects in the NP-FETs showed many similarities to those in the independent energy-offset BNS.« less

Authors:
; ; ;
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science - Office of Basic Energy Sciences - Materials Sciences and Engineering Division
OSTI Identifier:
1600935
DOE Contract Number:  
AC02-06CH11357
Resource Type:
Journal Article
Journal Name:
Physical Review, B: Condensed Matter
Additional Journal Information:
Journal Volume: 101; Journal Issue: 4
Country of Publication:
United States
Language:
English

Citation Formats

Qu, Luman, Hansen, Chase, Vörös, Márton, and Zimanyi, Gergely T. Commensuration Effects in Layered Nanoparticle Solids.. United States: N. p., 2020. Web. doi:10.1103/PhysRevB.101.045420.
Qu, Luman, Hansen, Chase, Vörös, Márton, & Zimanyi, Gergely T. Commensuration Effects in Layered Nanoparticle Solids.. United States. doi:10.1103/PhysRevB.101.045420.
Qu, Luman, Hansen, Chase, Vörös, Márton, and Zimanyi, Gergely T. Fri . "Commensuration Effects in Layered Nanoparticle Solids.". United States. doi:10.1103/PhysRevB.101.045420.
@article{osti_1600935,
title = {Commensuration Effects in Layered Nanoparticle Solids.},
author = {Qu, Luman and Hansen, Chase and Vörös, Márton and Zimanyi, Gergely T.},
abstractNote = {We have developed a hierarchical nanoparticle transport simulator (HINTS) and adapted it to study commensuration effects in two classes of nanoparticle (NP) solids: (1) a bilayer NP solid (BNS) with an energy offset and (2) a BNS as part of a field effect transistor (FET). HINTS integrates the ab initio characterization of single NPs with the phonon-assisted tunneling transition model of the NP-NP transitions into a kinetic Monte Carlo based simulation of the charge transport in NP solids. First, we studied a BNS with an interlayer energy offset Delta, possibly caused by a fixed electric field. Our results include the following. First, in the independent energy-offset model, we observed the emergence of commensuration effects when scanning the electron filling factor (FF) across integer values. These commensuration effects were profound as they reduced the mobility by several orders of magnitude. We analyzed these commensuration effects in a five-dimensional parameter space, as a function of the on-site charging energy E-C, energy offset Delta, disorder D, the electron FF, and temperature k(B)T. We demonstrated the complexity of our model by showing that at integer FFs commensuration effects are present in some regions of the parameter space, while they vanish in other regions, thus defining distinct dynamical phases of the model. We determined the phase boundaries between these dynamical phases. Second, using these results as a foundation, we shifted our focus to the experimentally much-studied NP-FETs. NP-FETs are also characterized by an interlayer energy offset Delta, which, in contrast to our first model, is set by the gate voltage V-G and thereby related to the electron FF. We repeated many of our simulations and again demonstrated the emergence of commensuration effects and distinct dynamical phases in these NP-FETs. Notably, the commensuration effects in the NP-FETs showed many similarities to those in the independent energy-offset BNS.},
doi = {10.1103/PhysRevB.101.045420},
journal = {Physical Review, B: Condensed Matter},
number = 4,
volume = 101,
place = {United States},
year = {2020},
month = {1}
}

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